N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide

C16H15N3OS — CID 2652917

IUPACN-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@H]1Cc2ccccc2N1CC(=O)Nc1sccc1C#N
InChIInChI=1S/C16H15N3OS/c1-11-8-12-4-2-3-5-14(12)19(11)10-15(20)18-16-13(9-17)6-7-21-16/h2-7,11H,8,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyZUNPMLQOUZOUMJ-NSHDSACASA-N
MW297.38 g/mol
LogP3.01
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 2652917) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID2652917
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@H]1Cc2ccccc2N1CC(=O)Nc1sccc1C#N
InChIInChI=1S/C16H15N3OS/c1-11-8-12-4-2-3-5-14(12)19(11)10-15(20)18-16-13(9-17)6-7-21-16/h2-7,11H,8,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyZUNPMLQOUZOUMJ-NSHDSACASA-N
XLogP3.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2503334
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2552554
N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2161891
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 78832981
4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 4818217
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993
N-(2-fluorophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652898
2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 8724940
methyl 2-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 22199973
N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-naphthalen-1-ylacetamide
CID 25357225
N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 2473904

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide (CID 2652917) is N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide is C[C@H]1Cc2ccccc2N1CC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is ZUNPMLQOUZOUMJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-8-12-4-2-3-5-14(12)19(11)10-15(20)18-16-13(9-17)6-7-21-16/h2-7,11H,8,10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 2652917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).